3SMDExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-17 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9205 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 64.000, 64.000, 59.010 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.400 - 1.760 |
| R-factor | 0.227 |
| Rwork | 0.227 |
| R-free | 0.25900 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.042 | 0.447 |
| Number of reflections | 14215 | |
| <I/σ(I)> | 28 | 4 |
| Completeness [%] | 99.5 | 94.9 |
| Redundancy | 21.1 | 18.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M HEPES-Na, 10% isopropanal, 20% PEG4000 , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
